| SpectraBase Spectrum ID |
GAx4aGOjVso |
| Name |
2-Bromo-N-(4-cyanophenyl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.989825917 u |
| Formula |
C14H9BrN2O |
| InChI |
InChI=1S/C14H9BrN2O/c15-13-4-2-1-3-12(13)14(18)17-11-7-5-10(9-16)6-8-11/h1-8H,(H,17,18) |
| InChIKey |
CGUMGABORJTSHH-UHFFFAOYSA-N |
| Molecular Weight |
301.143 g/mol |
| SMILES |
C(NC1=CC=C(C=C1)C#N)(=O)C1=C(Br)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850341 |
